SCHEMBL27244355

SCHEMBL27244355

CC(C)OC1CCc2c1cc(C(=O)Nc1ncc(F)cn1)c1nncn21

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ EED O75530 2/20 0.33
▸ MAP3K5 Q99683 1/20 0.32
▸ TYK2 P29597 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27266401 0.87 AHR (0.35) CYP1A2CYP3A4AHREEDMAP3K5
SCHEMBL27244339 0.87 AHR (0.35) CYP1A2CYP3A4AHREEDMAP3K5
SCHEMBL27266398 0.87 AHR (0.35) CYP1A2CYP3A4AHREEDMAP3K5
SCHEMBL27265902 0.85 AHR (0.46) CYP1A2CYP3A4AHREED
SCHEMBL27244311 0.85 AHR (0.46) CYP1A2CYP3A4AHREED
SCHEMBL27244330 0.85 AHR (0.46) CYP1A2CYP3A4AHREED
SCHEMBL30972574 0.85 AHR (0.33) CYP1A2CYP3A4AHREEDMAP3K5
SCHEMBL27266394 0.83 AHR (0.34) CYP1A2CYP3A4AHREED
SCHEMBL27244334 0.82 CYP1A2 (0.34) CYP1A2CYP3A4AHREED
SCHEMBL27266408 0.82 CYP1A2 (0.34) CYP1A2CYP3A4AHREED

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199608-A1 AHR AGONISTS ELI LILLY AND COMPANY 2024-06-20 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240199608-A1 AHR AGONISTS AHR, ARNT, RORC CYP1A2 176/4885CYP3A4 567/4885AHR 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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